SCHEMBL8026778

SCHEMBL8026778

C[C@@H]([C@@H](C(=O)O)N(C=O)OC(C)(C)C)N(C)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARA Q07869 1/20 0.33
MAOB P27338 1/20 0.33
SLC15A1 P46059 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7646910 0.79 ALDH1A1 (0.36) L3MBTL1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7646162 0.77 PPARA (0.39) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL27389520 0.76 SLC1A3 (0.41) L3MBTL1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8660600 0.72 ABCB1 (0.37) L3MBTL1MEN1KMT2AALDH1A1MAOB
SCHEMBL28233244 0.72 CYP1A2 (0.41) CYP1A2ALDH1A1PPARAMAPT
SCHEMBL7646164 0.71 PPARA (0.51) PPARA
SCHEMBL14718416 0.70
SCHEMBL27966444 0.70
SCHEMBL24252141 0.70 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL20583924 0.70 FOLH1 (0.41) L3MBTL1MEN1KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO disclosed